TXK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C32 | sing | 1.53Å | 1.55Å | |
| C32 | C31 | sing | 1.53Å | 1.56Å | |
| C31 | N2 | sing | 1.47Å | 1.25Å | |
| C29 | N2 | sing | 1.49Å | 1.42Å | |
| C29 | C28 | sing | 1.55Å | 1.53Å | |
| N2 | C30 | sing | 1.48Å | 1.41Å | |
| C28 | C27 | sing | 1.55Å | 1.42Å | |
| C30 | C27 | sing | 1.54Å | 1.50Å | |
| C27 | C26 | sing | 1.53Å | 1.60Å | |
| C26 | C25 | sing | 1.53Å | 1.56Å | |
| C25 | C22 | sing | 1.51Å | 1.58Å | |
| C22 | C23 | doub | 1.38Å | 1.52Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.34Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.34Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.53Å | Aromatic |
| C24 | C19 | doub | 1.38Å | 1.53Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.36Å | Aromatic |
| C19 | C9 | sing | 1.51Å | 1.51Å | |
| C17 | C8 | sing | 1.53Å | 1.56Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | doub | 1.38Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.53Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.50Å | Aromatic |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | doub | 1.38Å | 1.36Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | doub | 1.38Å | 1.36Å | Aromatic |
| C9 | N1 | sing | 1.47Å | 1.44Å | |
| C4 | C5 | sing | 1.39Å | 1.48Å | Aromatic |
| C5 | C7 | sing | 1.50Å | 1.59Å | |
| C8 | C18 | sing | 1.52Å | 1.57Å | |
| C8 | N1 | sing | 1.47Å | 1.38Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| N1 | C10 | sing | 1.35Å | 1.49Å | |
| C10 | O1 | doub | 1.21Å | 1.20Å | |
| C10 | C11 | sing | 1.48Å | 1.53Å | |
| C12 | C11 | doub | 1.40Å | 1.33Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.51Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.53Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.33Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.32Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.50Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C9 | H37 | sing | 1.09Å | 1.10Å | |
| O2 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C32 | C31 | 108.5° | 109.5° |
| C33 | C32 | H32 | 109.7° | 109.4° |
| C33 | C32 | H33 | 109.7° | 109.5° |
| C32 | C33 | H34 | 109.5° | 109.5° |
| C32 | C33 | H35 | 109.5° | 109.4° |
| C32 | C33 | H36 | 109.5° | 109.5° |
| C32 | C31 | N2 | 113.4° | 109.5° |
| C32 | C31 | H30 | 108.5° | 109.5° |
| C32 | C31 | H31 | 108.5° | 109.5° |
| C31 | C32 | H32 | 109.7° | 109.5° |
| C31 | C32 | H33 | 109.7° | 109.5° |
| C31 | N2 | C29 | 108.3° | 111.0° |
| C31 | N2 | C30 | 107.9° | 111.0° |
| N2 | C31 | H30 | 108.5° | 109.5° |
| N2 | C31 | H31 | 108.5° | 109.4° |
| N2 | C29 | C28 | 101.2° | 103.2° |
| C29 | N2 | C30 | 107.4° | 105.9° |
| N2 | C29 | H26 | 111.5° | 110.6° |
| N2 | C29 | H27 | 111.5° | 110.6° |
| C29 | C28 | C27 | 98.8° | 102.9° |
| C29 | C28 | H13 | 112.1° | 110.7° |
| C29 | C28 | H14 | 112.1° | 110.9° |
| C28 | C29 | H26 | 111.5° | 110.6° |
| C28 | C29 | H27 | 111.5° | 110.7° |
| N2 | C30 | C27 | 104.7° | 107.0° |
| N2 | C30 | H28 | 110.6° | 109.9° |
| N2 | C30 | H29 | 110.7° | 110.1° |
| C28 | C27 | C30 | 105.6° | 105.1° |
| C28 | C27 | C26 | 108.5° | 110.3° |
| C27 | C28 | H13 | 112.1° | 110.7° |
| C27 | C28 | H14 | 112.1° | 110.7° |
| C28 | C27 | H25 | 112.9° | 110.3° |
| C30 | C27 | C26 | 107.7° | 110.3° |
| C30 | C27 | H25 | 111.7° | 110.4° |
| C27 | C30 | H28 | 110.6° | 109.9° |
| C27 | C30 | H29 | 110.6° | 109.9° |
| C27 | C26 | C25 | 111.0° | 109.5° |
| C27 | C26 | H11 | 109.1° | 109.5° |
| C27 | C26 | H12 | 109.1° | 109.5° |
| C26 | C27 | H25 | 110.2° | 110.3° |
| C26 | C25 | C22 | 104.5° | 109.5° |
| C25 | C26 | H11 | 109.1° | 109.4° |
| C25 | C26 | H12 | 109.1° | 109.4° |
| C26 | C25 | H23 | 110.7° | 109.5° |
| C26 | C25 | H24 | 110.7° | 109.5° |
| C25 | C22 | C23 | 118.9° | 120.0° |
| C25 | C22 | C21 | 118.8° | 120.0° |
| C22 | C25 | H23 | 110.7° | 109.4° |
| C22 | C25 | H24 | 110.7° | 109.5° |
| C23 | C22 | C21 | 122.3° | 120.0° |
| C22 | C23 | C24 | 122.3° | 120.0° |
| C22 | C23 | H22 | 118.9° | 120.0° |
| C22 | C21 | C20 | 116.5° | 120.0° |
| C22 | C21 | H9 | 121.7° | 120.0° |
| C23 | C24 | C19 | 116.2° | 120.0° |
| C23 | C24 | H10 | 121.9° | 120.0° |
| C24 | C23 | H22 | 118.8° | 119.9° |
| C21 | C20 | C19 | 120.9° | 120.0° |
| C21 | C20 | H8 | 119.6° | 120.0° |
| C20 | C21 | H9 | 121.8° | 120.0° |
| C24 | C19 | C20 | 121.6° | 120.0° |
| C24 | C19 | C9 | 119.9° | 120.0° |
| C19 | C24 | H10 | 121.9° | 120.0° |
| C20 | C19 | C9 | 118.1° | 120.0° |
| C19 | C20 | H8 | 119.5° | 120.0° |
| C19 | C9 | C6 | 112.0° | 109.3° |
| C19 | C9 | N1 | 113.2° | 109.3° |
| C19 | C9 | H37 | 107.6° | 109.1° |
| C8 | C17 | C18 | 61.4° | 59.9° |
| C17 | C8 | C18 | 57.8° | 60.3° |
| C17 | C8 | N1 | 120.8° | 118.0° |
| C17 | C8 | C7 | 106.3° | 118.6° |
| C8 | C17 | H6 | 119.7° | 117.5° |
| C8 | C17 | H7 | 119.8° | 117.5° |
| C17 | C18 | C8 | 60.8° | 59.9° |
| C18 | C17 | H6 | 119.8° | 117.6° |
| C18 | C17 | H7 | 119.8° | 117.5° |
| C17 | C18 | H19 | 119.9° | 117.5° |
| C17 | C18 | H20 | 119.9° | 117.5° |
| C1 | C2 | C3 | 121.5° | 119.7° |
| C2 | C1 | C6 | 117.8° | 120.8° |
| C2 | C1 | H15 | 121.1° | 119.6° |
| C1 | C2 | H21 | 119.2° | 120.2° |
| C2 | C3 | O2 | 120.5° | 120.2° |
| C2 | C3 | C4 | 121.7° | 119.5° |
| C3 | C2 | H21 | 119.2° | 120.2° |
| C1 | C6 | C9 | 113.0° | 117.0° |
| C1 | C6 | C5 | 118.5° | 119.5° |
| C6 | C1 | H15 | 121.1° | 119.6° |
| O2 | C3 | C4 | 117.5° | 120.2° |
| C3 | O2 | H39 | 109.5° | 114.0° |
| C3 | C4 | C5 | 114.4° | 120.6° |
| C3 | C4 | H1 | 122.8° | 119.7° |
| C9 | C6 | C5 | 128.4° | 123.5° |
| C6 | C9 | N1 | 107.8° | 110.5° |
| C6 | C9 | H37 | 107.6° | 109.3° |
| C6 | C5 | C4 | 126.0° | 119.8° |
| C6 | C5 | C7 | 119.0° | 123.3° |
| C9 | N1 | C8 | 119.3° | 116.7° |
| C9 | N1 | C10 | 114.2° | 121.7° |
| N1 | C9 | H37 | 108.6° | 109.3° |
| C4 | C5 | C7 | 114.9° | 116.9° |
| C5 | C4 | H1 | 122.8° | 119.7° |
| C5 | C7 | C8 | 106.5° | 110.3° |
| C5 | C7 | H2 | 110.2° | 109.4° |
| C5 | C7 | H3 | 110.2° | 109.4° |
| C18 | C8 | N1 | 125.0° | 118.0° |
| C18 | C8 | C7 | 111.5° | 118.6° |
| C8 | C18 | H19 | 119.9° | 117.6° |
| C8 | C18 | H20 | 119.9° | 117.6° |
| N1 | C8 | C7 | 119.2° | 113.5° |
| C8 | N1 | C10 | 126.4° | 121.7° |
| C8 | C7 | H2 | 110.2° | 109.0° |
| C8 | C7 | H3 | 110.2° | 109.4° |
| N1 | C10 | O1 | 120.6° | 120.0° |
| N1 | C10 | C11 | 121.0° | 120.0° |
| O1 | C10 | C11 | 118.0° | 120.0° |
| C10 | C11 | C12 | 123.4° | 120.1° |
| C10 | C11 | C16 | 109.7° | 120.2° |
| C11 | C12 | C13 | 112.6° | 119.8° |
| C12 | C11 | C16 | 126.8° | 119.7° |
| C11 | C12 | H16 | 123.7° | 120.1° |
| C12 | C13 | C14 | 121.5° | 120.2° |
| C12 | C13 | H4 | 119.3° | 119.9° |
| C13 | C12 | H16 | 123.7° | 120.1° |
| C11 | C16 | C15 | 118.7° | 119.8° |
| C11 | C16 | H18 | 120.7° | 120.0° |
| C13 | C14 | C15 | 123.9° | 120.3° |
| C14 | C13 | H4 | 119.2° | 119.9° |
| C13 | C14 | H17 | 118.1° | 119.9° |
| C16 | C15 | C14 | 116.4° | 120.2° |
| C16 | C15 | H5 | 121.8° | 119.9° |
| C15 | C16 | H18 | 120.7° | 120.1° |
| C14 | C15 | H5 | 121.8° | 119.9° |
| C15 | C14 | H17 | 118.0° | 119.8° |
| H2 | C7 | H3 | 109.5° | 109.4° |
| H6 | C17 | H7 | 109.5° | 115.6° |
| H11 | C26 | H12 | 109.5° | 109.5° |
| H13 | C28 | H14 | 109.5° | 110.7° |
| H19 | C18 | H20 | 109.4° | 115.5° |
| H23 | C25 | H24 | 109.5° | 109.4° |
| H26 | C29 | H27 | 109.5° | 110.8° |
| H28 | C30 | H29 | 109.5° | 109.9° |
| H30 | C31 | H31 | 109.4° | 109.5° |
| H32 | C32 | H33 | 109.5° | 109.5° |
| H34 | C33 | H35 | 109.5° | 109.5° |
| H34 | C33 | H36 | 109.5° | 109.5° |
| H35 | C33 | H36 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C32 | C31 | H32 | 119.8° | 119.9° |
| C33 | C32 | C31 | H33 | 119.9° | 120.0° |
| C33 | C32 | C31 | N2 | 161.3° | 180.0° |
| C33 | C32 | C31 | H30 | 40.8° | 60.0° |
| C33 | C32 | C31 | H31 | 78.1° | 60.1° |
| C33 | C32 | H32 | H33 | 120.5° | 120.0° |
| C32 | C33 | H34 | H35 | 120.0° | 120.0° |
| C32 | C33 | H34 | H36 | 120.0° | 120.0° |
| C32 | C33 | H35 | H36 | 120.0° | 120.0° |
| C32 | C31 | N2 | H30 | 120.6° | 120.1° |
| C32 | C31 | N2 | H31 | 120.6° | 120.0° |
| C32 | C31 | N2 | C29 | 58.8° | 69.8° |
| C32 | C31 | N2 | C30 | 174.7° | 172.7° |
| C32 | C31 | H30 | H31 | 118.2° | 120.0° |
| C31 | C32 | H32 | H33 | 120.4° | 120.0° |
| C31 | C32 | C33 | H34 | 180.0° | 180.0° |
| C31 | C32 | C33 | H35 | 60.0° | 60.0° |
| C31 | C32 | C33 | H36 | 60.0° | 60.0° |
| C31 | N2 | C29 | C30 | 116.2° | 120.6° |
| C31 | N2 | C29 | C28 | 154.1° | 159.8° |
| C31 | N2 | C30 | C27 | 130.8° | 145.9° |
| C31 | N2 | C29 | H26 | 35.5° | 81.8° |
| C31 | N2 | C29 | H27 | 87.3° | 41.3° |
| C31 | N2 | C30 | H28 | 110.0° | 26.6° |
| C31 | N2 | C30 | H29 | 11.5° | 94.7° |
| N2 | C31 | H30 | H31 | 118.2° | 119.9° |
| N2 | C31 | C32 | H32 | 78.8° | 60.1° |
| N2 | C31 | C32 | H33 | 41.5° | 60.0° |
| N2 | C29 | C28 | H26 | 118.6° | 118.4° |
| N2 | C29 | C28 | H27 | 118.7° | 118.4° |
| N2 | C29 | C28 | C27 | 46.6° | 37.4° |
| C29 | N2 | C30 | C27 | 14.3° | 25.3° |
| N2 | C29 | C28 | H13 | 164.8° | 80.9° |
| N2 | C29 | C28 | H14 | 71.6° | 155.8° |
| N2 | C29 | H26 | H27 | 123.9° | 123.1° |
| C29 | N2 | C30 | H28 | 133.5° | 94.0° |
| C29 | N2 | C30 | H29 | 104.9° | 144.7° |
| C29 | N2 | C31 | H30 | 179.3° | 170.1° |
| C29 | N2 | C31 | H31 | 61.8° | 50.1° |
| C28 | C29 | N2 | C30 | 37.9° | 39.2° |
| C29 | C28 | C27 | H13 | 118.2° | 118.4° |
| C29 | C28 | C27 | H14 | 118.2° | 118.5° |
| C29 | C28 | C27 | C30 | 38.2° | 22.0° |
| C29 | C28 | C27 | C26 | 153.4° | 140.9° |
| C29 | C28 | H13 | H14 | 125.0° | 123.4° |
| C29 | C28 | C27 | H25 | 84.2° | 97.0° |
| C28 | C29 | H26 | H27 | 123.8° | 123.1° |
| N2 | C30 | C27 | C28 | 16.9° | 1.2° |
| N2 | C30 | C27 | H28 | 119.2° | 119.3° |
| N2 | C30 | C27 | H29 | 119.3° | 119.6° |
| N2 | C30 | C27 | C26 | 132.7° | 117.7° |
| N2 | C30 | C27 | H25 | 106.2° | 120.1° |
| C30 | N2 | C29 | H26 | 80.8° | 157.6° |
| C30 | N2 | C29 | H27 | 156.5° | 79.2° |
| N2 | C30 | H28 | H29 | 122.2° | 121.4° |
| C30 | N2 | C31 | H30 | 64.7° | 52.6° |
| C30 | N2 | C31 | H31 | 54.1° | 67.3° |
| C28 | C27 | C30 | C26 | 115.7° | 118.9° |
| C28 | C27 | C30 | H25 | 123.1° | 119.0° |
| C28 | C27 | C26 | H25 | 124.1° | 122.1° |
| C28 | C27 | C26 | C25 | 158.4° | 66.5° |
| C28 | C27 | C26 | H11 | 38.1° | 173.6° |
| C28 | C27 | C26 | H12 | 81.4° | 53.5° |
| C27 | C28 | H13 | H14 | 125.0° | 123.1° |
| C27 | C28 | C29 | H26 | 72.0° | 155.8° |
| C27 | C28 | C29 | H27 | 165.3° | 81.0° |
| C28 | C27 | C30 | H28 | 102.3° | 118.1° |
| C28 | C27 | C30 | H29 | 136.2° | 120.8° |
| C30 | C27 | C26 | H25 | 122.0° | 122.2° |
| C30 | C27 | C26 | C25 | 87.8° | 177.8° |
| C30 | C27 | C26 | H11 | 152.0° | 57.9° |
| C30 | C27 | C26 | H12 | 32.4° | 62.2° |
| C30 | C27 | C28 | H13 | 156.4° | 96.4° |
| C30 | C27 | C28 | H14 | 80.1° | 140.5° |
| C27 | C30 | H28 | H29 | 122.2° | 121.1° |
| C27 | C26 | C25 | H11 | 120.2° | 120.0° |
| C27 | C26 | C25 | H12 | 120.2° | 120.0° |
| C27 | C26 | C25 | C22 | 166.7° | 180.0° |
| C27 | C26 | H11 | H12 | 119.3° | 120.0° |
| C26 | C27 | C28 | H13 | 88.4° | 22.5° |
| C26 | C27 | C28 | H14 | 35.2° | 100.6° |
| C27 | C26 | C25 | H23 | 74.1° | 60.0° |
| C27 | C26 | C25 | H24 | 47.5° | 60.0° |
| C26 | C27 | C30 | H28 | 13.5° | 123.0° |
| C26 | C27 | C30 | H29 | 108.1° | 1.9° |
| C26 | C25 | C22 | H23 | 119.2° | 120.0° |
| C26 | C25 | C22 | H24 | 119.2° | 120.0° |
| C26 | C25 | C22 | C23 | 65.9° | 90.0° |
| C26 | C25 | C22 | C21 | 114.9° | 89.9° |
| C25 | C26 | H11 | H12 | 119.3° | 120.0° |
| C26 | C25 | H23 | H24 | 122.3° | 120.0° |
| C25 | C26 | C27 | H25 | 34.2° | 55.6° |
| C25 | C22 | C23 | C21 | 179.2° | 179.9° |
| C25 | C22 | C23 | C24 | 179.8° | 179.7° |
| C25 | C22 | C21 | C20 | 179.6° | 180.0° |
| C25 | C22 | C21 | H9 | 0.4° | 0.1° |
| C22 | C25 | C26 | H11 | 46.5° | 60.0° |
| C22 | C25 | C26 | H12 | 73.0° | 60.0° |
| C25 | C22 | C23 | H22 | 0.2° | 0.0° |
| C22 | C25 | H23 | H24 | 122.3° | 120.0° |
| C22 | C23 | C24 | H22 | 180.0° | 179.7° |
| C23 | C22 | C21 | C20 | 0.4° | 0.0° |
| C22 | C23 | C24 | C19 | 2.7° | 0.5° |
| C23 | C22 | C21 | H9 | 179.6° | 180.0° |
| C22 | C23 | C24 | H10 | 177.3° | 180.0° |
| C23 | C22 | C25 | H23 | 174.9° | 150.0° |
| C23 | C22 | C25 | H24 | 53.4° | 30.1° |
| C21 | C22 | C23 | C24 | 1.0° | 0.2° |
| C22 | C21 | C20 | H9 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 1.9° | 0.0° |
| C22 | C21 | C20 | H8 | 178.1° | 179.8° |
| C21 | C22 | C23 | H22 | 179.0° | 179.9° |
| C21 | C22 | C25 | H23 | 4.3° | 30.0° |
| C21 | C22 | C25 | H24 | 125.8° | 150.0° |
| C23 | C24 | C19 | H10 | 180.0° | 179.5° |
| C23 | C24 | C19 | C20 | 4.3° | 0.5° |
| C23 | C24 | C19 | C9 | 177.0° | 179.5° |
| C21 | C20 | C19 | C24 | 3.9° | 0.2° |
| C21 | C20 | C19 | H8 | 180.0° | 179.8° |
| C21 | C20 | C19 | C9 | 176.7° | 179.7° |
| C24 | C19 | C20 | C9 | 172.8° | 180.0° |
| C24 | C19 | C9 | C6 | 35.4° | 50.5° |
| C24 | C19 | C9 | N1 | 86.6° | 70.5° |
| C24 | C19 | C20 | H8 | 176.2° | 180.0° |
| C19 | C24 | C23 | H22 | 177.3° | 179.8° |
| C24 | C19 | C9 | H37 | 153.4° | 169.9° |
| C20 | C19 | C9 | C6 | 137.5° | 129.5° |
| C20 | C19 | C9 | N1 | 100.4° | 109.5° |
| C19 | C20 | C21 | H9 | 178.1° | 180.0° |
| C20 | C19 | C24 | H10 | 175.8° | 180.0° |
| C20 | C19 | C9 | H37 | 19.5° | 10.0° |
| C19 | C9 | C6 | C1 | 65.9° | 72.9° |
| C19 | C9 | C6 | N1 | 125.1° | 120.3° |
| C19 | C9 | C6 | H37 | 118.0° | 119.3° |
| C19 | C9 | C6 | C5 | 111.2° | 106.9° |
| C19 | C9 | N1 | H37 | 119.4° | 119.4° |
| C19 | C9 | N1 | C8 | 86.3° | 79.4° |
| C19 | C9 | N1 | C10 | 90.4° | 100.9° |
| C9 | C19 | C20 | H8 | 3.3° | 0.1° |
| C9 | C19 | C24 | H10 | 3.0° | 0.0° |
| C8 | C17 | C18 | H6 | 109.8° | 107.4° |
| C8 | C17 | C18 | H7 | 109.9° | 107.4° |
| C17 | C8 | N1 | C9 | 78.5° | 88.0° |
| C17 | C8 | C7 | C5 | 100.9° | 104.4° |
| C17 | C8 | C18 | N1 | 107.4° | 108.0° |
| C17 | C8 | C18 | C7 | 96.2° | 108.5° |
| C17 | C8 | N1 | C7 | 135.1° | 145.4° |
| C17 | C8 | N1 | C10 | 97.8° | 92.3° |
| C17 | C8 | C7 | H2 | 18.6° | 15.7° |
| C17 | C8 | C7 | H3 | 139.6° | 135.2° |
| C8 | C17 | H6 | H7 | 144.0° | 145.7° |
| C8 | C17 | C18 | H19 | 109.7° | 107.5° |
| C8 | C17 | C18 | H20 | 109.7° | 107.5° |
| C18 | C17 | H6 | H7 | 144.0° | 145.9° |
| C17 | C18 | H19 | H20 | 144.3° | 145.6° |
| C1 | C2 | C3 | H21 | 180.0° | 179.9° |
| C2 | C1 | C6 | H15 | 180.0° | 180.0° |
| C1 | C2 | C3 | O2 | 176.5° | 179.6° |
| C1 | C2 | C3 | C4 | 3.4° | 0.5° |
| C2 | C1 | C6 | C9 | 176.8° | 179.2° |
| C2 | C1 | C6 | C5 | 0.6° | 0.6° |
| C3 | C2 | C1 | C6 | 2.4° | 0.1° |
| C2 | C3 | O2 | C4 | 173.4° | 179.9° |
| C2 | C3 | C4 | C5 | 2.2° | 0.3° |
| C2 | C3 | C4 | H1 | 177.8° | 179.5° |
| C3 | C2 | C1 | H15 | 177.6° | 180.0° |
| C2 | C3 | O2 | H39 | 180.0° | 90.0° |
| C1 | C6 | C9 | C5 | 177.1° | 179.8° |
| C1 | C6 | C9 | N1 | 169.0° | 166.7° |
| C1 | C6 | C5 | C4 | 0.5° | 0.8° |
| C1 | C6 | C5 | C7 | 178.0° | 178.3° |
| C6 | C1 | C2 | H21 | 177.6° | 180.0° |
| C1 | C6 | C9 | H37 | 52.1° | 46.4° |
| O2 | C3 | C4 | C5 | 175.5° | 179.8° |
| O2 | C3 | C4 | H1 | 4.5° | 0.3° |
| O2 | C3 | C2 | H21 | 3.5° | 0.3° |
| C3 | C4 | C5 | C6 | 0.4° | 0.4° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | C7 | 177.3° | 178.8° |
| C4 | C3 | C2 | H21 | 176.6° | 179.6° |
| C4 | C3 | O2 | H39 | 6.6° | 89.9° |
| C6 | C9 | N1 | H37 | 116.3° | 120.3° |
| C9 | C6 | C5 | C4 | 177.4° | 179.0° |
| C9 | C6 | C5 | C7 | 5.0° | 1.8° |
| C6 | C9 | N1 | C8 | 38.1° | 40.9° |
| C6 | C9 | N1 | C10 | 145.2° | 138.8° |
| C9 | C6 | C1 | H15 | 3.2° | 0.8° |
| C5 | C6 | C9 | N1 | 13.9° | 13.4° |
| C6 | C5 | C4 | C7 | 177.6° | 179.2° |
| C6 | C5 | C7 | C8 | 15.3° | 15.1° |
| C6 | C5 | C4 | H1 | 179.6° | 179.8° |
| C6 | C5 | C7 | H2 | 134.8° | 135.0° |
| C6 | C5 | C7 | H3 | 104.3° | 105.2° |
| C5 | C6 | C1 | H15 | 179.4° | 179.4° |
| C5 | C6 | C9 | H37 | 130.8° | 133.8° |
| C9 | N1 | C8 | C18 | 148.7° | 157.3° |
| C9 | N1 | C8 | C10 | 176.3° | 179.7° |
| C9 | N1 | C8 | C7 | 56.6° | 57.4° |
| C9 | N1 | C10 | O1 | 0.5° | 176.9° |
| C9 | N1 | C10 | C11 | 171.9° | 3.3° |
| C4 | C5 | C7 | C8 | 166.9° | 165.7° |
| C4 | C5 | C7 | H2 | 47.4° | 45.8° |
| C4 | C5 | C7 | H3 | 73.5° | 73.9° |
| C5 | C7 | C8 | C18 | 162.1° | 174.2° |
| C5 | C7 | C8 | N1 | 39.9° | 40.8° |
| C5 | C7 | C8 | H2 | 119.5° | 120.1° |
| C5 | C7 | C8 | H3 | 119.5° | 120.3° |
| C7 | C5 | C4 | H1 | 2.8° | 1.0° |
| C5 | C7 | H2 | H3 | 121.4° | 119.7° |
| C18 | C8 | N1 | C7 | 154.8° | 145.3° |
| C18 | C8 | N1 | C10 | 27.6° | 23.0° |
| C18 | C8 | C7 | H2 | 42.6° | 54.1° |
| C18 | C8 | C7 | H3 | 78.4° | 65.5° |
| C8 | C18 | H19 | H20 | 144.3° | 145.9° |
| C8 | N1 | C10 | O1 | 176.0° | 3.4° |
| C8 | N1 | C10 | C11 | 11.6° | 176.5° |
| N1 | C8 | C7 | H2 | 159.4° | 160.9° |
| N1 | C8 | C7 | H3 | 79.6° | 79.6° |
| N1 | C8 | C17 | H6 | 4.6° | 0.5° |
| N1 | C8 | C17 | H7 | 135.7° | 144.6° |
| N1 | C8 | C18 | H19 | 2.4° | 144.6° |
| N1 | C8 | C18 | H20 | 143.0° | 0.6° |
| C8 | N1 | C9 | H37 | 154.3° | 161.3° |
| C7 | C8 | N1 | C10 | 127.2° | 122.3° |
| C8 | C7 | H2 | H3 | 121.4° | 119.6° |
| C7 | C8 | C17 | H6 | 144.6° | 144.1° |
| C7 | C8 | C17 | H7 | 4.3° | 0.9° |
| C7 | C8 | C18 | H19 | 154.1° | 1.1° |
| C7 | C8 | C18 | H20 | 13.5° | 144.1° |
| N1 | C10 | O1 | C11 | 172.6° | 179.9° |
| N1 | C10 | C11 | C12 | 124.7° | 63.4° |
| N1 | C10 | C11 | C16 | 59.8° | 117.5° |
| C10 | N1 | C9 | H37 | 28.9° | 18.5° |
| O1 | C10 | C11 | C12 | 62.8° | 116.7° |
| O1 | C10 | C11 | C16 | 112.7° | 62.4° |
| C10 | C11 | C12 | C16 | 174.7° | 179.1° |
| C10 | C11 | C12 | C13 | 177.7° | 179.7° |
| C10 | C11 | C16 | C15 | 175.8° | 179.9° |
| C10 | C11 | C12 | H16 | 2.3° | 0.3° |
| C10 | C11 | C16 | H18 | 4.2° | 0.0° |
| C11 | C12 | C13 | H16 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 3.1° | 0.0° |
| C12 | C11 | C16 | C15 | 0.5° | 0.8° |
| C11 | C12 | C13 | H4 | 176.9° | 179.6° |
| C12 | C11 | C16 | H18 | 179.5° | 179.2° |
| C13 | C12 | C11 | C16 | 3.0° | 0.6° |
| C12 | C13 | C14 | H4 | 180.0° | 179.6° |
| C12 | C13 | C14 | C15 | 0.8° | 0.3° |
| C12 | C13 | C14 | H17 | 179.2° | 179.7° |
| C11 | C16 | C15 | H18 | 180.0° | 180.0° |
| C11 | C16 | C15 | C14 | 2.0° | 0.5° |
| C11 | C16 | C15 | H5 | 178.0° | 179.4° |
| C16 | C11 | C12 | H16 | 177.0° | 179.4° |
| C13 | C14 | C15 | C16 | 1.8° | 0.1° |
| C13 | C14 | C15 | H17 | 180.0° | 180.0° |
| C13 | C14 | C15 | H5 | 178.2° | 180.0° |
| C14 | C13 | C12 | H16 | 176.9° | 180.0° |
| C16 | C15 | C14 | H5 | 180.0° | 179.9° |
| C16 | C15 | C14 | H17 | 178.2° | 180.0° |
| C15 | C14 | C13 | H4 | 179.2° | 180.0° |
| C14 | C15 | C16 | H18 | 178.0° | 179.5° |
| H4 | C13 | C12 | H16 | 3.1° | 0.4° |
| H4 | C13 | C14 | H17 | 0.8° | 0.1° |
| H5 | C15 | C14 | H17 | 1.8° | 0.0° |
| H5 | C15 | C16 | H18 | 2.0° | 0.6° |
| H6 | C17 | C18 | H19 | 0.1° | 145.0° |
| H6 | C17 | C18 | H20 | 140.5° | 0.1° |
| H7 | C17 | C18 | H19 | 140.4° | 0.1° |
| H7 | C17 | C18 | H20 | 0.2° | 145.1° |
| H8 | C20 | C21 | H9 | 1.9° | 0.2° |
| H10 | C24 | C23 | H22 | 2.7° | 0.3° |
| H11 | C26 | C25 | H23 | 165.7° | 180.0° |
| H11 | C26 | C25 | H24 | 72.7° | 60.0° |
| H11 | C26 | C27 | H25 | 86.0° | 64.4° |
| H12 | C26 | C25 | H23 | 46.2° | 60.0° |
| H12 | C26 | C25 | H24 | 167.7° | 180.0° |
| H12 | C26 | C27 | H25 | 154.5° | 175.6° |
| H13 | C28 | C27 | H25 | 34.1° | 144.6° |
| H13 | C28 | C29 | H26 | 46.2° | 37.5° |
| H13 | C28 | C29 | H27 | 76.5° | 160.7° |
| H14 | C28 | C27 | H25 | 157.6° | 21.5° |
| H14 | C28 | C29 | H26 | 169.7° | 85.8° |
| H14 | C28 | C29 | H27 | 47.0° | 37.4° |
| H15 | C1 | C2 | H21 | 2.4° | 0.1° |
| H25 | C27 | C30 | H28 | 134.6° | 0.8° |
| H25 | C27 | C30 | H29 | 13.1° | 120.3° |
| H30 | C31 | C32 | H32 | 160.6° | 60.0° |
| H30 | C31 | C32 | H33 | 79.1° | 180.0° |
| H31 | C31 | C32 | H32 | 41.8° | NaN° |
| H31 | C31 | C32 | H33 | 162.1° | 59.9° |
| H32 | C32 | C33 | H34 | 60.1° | 60.1° |
| H32 | C32 | C33 | H35 | 59.9° | 179.9° |
| H32 | C32 | C33 | H36 | 179.9° | 60.0° |
| H33 | C32 | C33 | H34 | 60.2° | 60.0° |
| H33 | C32 | C33 | H35 | 179.8° | 60.0° |
| H33 | C32 | C33 | H36 | 59.8° | 180.0° |
| H34 | C33 | H35 | H36 | 120.0° | 120.0° |
